Theory of rotational columnar structures of soft spheres

Phys Rev E. 2019 Feb;99(2-1):020602. doi: 10.1103/PhysRevE.99.020602.

Abstract

There is a growing interest in cylindrical structures of hard and soft particles. A promising new method to assemble such structures has recently been introduced by Lee et al. [Lee, Gizynski, and Grzybowski, Adv. Mater. 29, 1704274 (2017)ADVMEW0935-964810.1002/adma.201704274]. They used rapid rotations around a central axis to drive spheres of lower density than the surrounding fluid towards the axis. This resulted in different structures as the number of spheres is varied. Here, we present comprehensive analytic energy calculations for such self-assembled structures, based on a generic soft sphere model, from which we obtain a phase diagram. It displays interesting features, including peritectoid points. These analytic calculations are complemented by preliminary numerical simulations for finite sample sizes with soft spheres. A similar analytic approach could be used to study packings of spheres inside cylinders of fixed dimensions, but with a variation in the number of spheres.